#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqf s THR 2 N 0.00 4.83 0.11 0.00 2.01 -0.65 -4.93 115.64 117.02 3gqf s THR 2 Ca 0.00 0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.78 3gqf s THR 2 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3gqf s THR 2 CO 0.00 -0.04 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.14 3gqf s LYS 3 N -2.69 1.15 0.18 4.92 1.02 -1.26 -1.49 119.74 121.56 3gqf s LYS 3 Ca 0.48 -1.19 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 3gqf s LYS 3 Cb -0.12 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 3gqf s LYS 3 CO 0.20 0.32 0.17 0.00 -0.92 0.00 0.00 175.35 175.12 3gqf s ALA 4 N -1.25 0.74 0.07 5.17 0.00 -0.28 -1.57 121.76 124.63 3gqf s ALA 4 Ca 0.08 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 3gqf s ALA 4 Cb -0.10 1.11 0.04 0.00 0.00 0.00 0.00 23.12 24.18 3gqf s ALA 4 CO 0.05 -0.60 0.44 0.54 0.00 0.00 0.00 175.76 176.19 3gqf s VAL 5 N -4.08 0.05 -0.12 0.00 0.11 0.25 -0.92 120.40 115.68 3gqf s VAL 5 Ca 0.29 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 3gqf s VAL 5 Cb 0.06 -1.01 0.05 0.00 -1.53 0.00 0.00 36.38 33.95 3gqf s VAL 5 CO 0.07 -0.24 0.30 0.00 -3.33 0.00 0.00 175.10 171.90 3gqf s VAL 7 N 1.13 5.22 -0.20 0.00 1.01 -1.26 -1.19 120.40 125.11 3gqf s VAL 7 Ca -0.08 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 3gqf s VAL 7 Cb -0.09 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3gqf s VAL 7 CO -0.08 0.28 0.50 -0.76 0.00 0.00 0.00 175.10 175.04 3gqf s LEU 8 N 1.57 4.14 0.04 3.92 1.02 0.30 -3.84 118.68 125.84 3gqf s LEU 8 Ca 0.07 0.65 -0.02 0.00 0.02 0.00 0.00 54.13 54.85 3gqf s LEU 8 Cb -0.15 -2.68 -0.03 0.00 0.02 0.00 0.00 46.19 43.35 3gqf s LEU 8 CO 0.09 -0.17 0.01 -0.54 0.02 0.00 0.00 176.35 175.76 3gqf s LYS 9 N 1.61 0.56 0.00 1.70 1.02 -0.57 -1.72 119.74 122.35 3gqf s LYS 9 Ca 0.23 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3gqf s LYS 9 Cb -0.15 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 3gqf s LYS 9 CO 0.09 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 3gqf n GLY 10 N 0.54 3.72 0.38 -3.33 0.00 -1.25 -0.98 105.19 104.27 3gqf n GLY 10 Ca -0.17 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.00 3gqf n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqf n ASP 11 N -0.05 1.23 0.00 1.61 8.00 -1.26 -4.92 116.55 121.16 3gqf n ASP 11 Ca 0.00 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3gqf n ASP 11 Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3gqf n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqf n GLY 12 N 1.20 5.94 0.08 0.44 0.00 -1.26 -5.04 105.19 106.55 3gqf n GLY 12 Ca 0.18 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.44 3gqf n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqf n PRO 13 N 0.00 0.19 -2.52 1.61 -0.04 -1.26 -4.87 135.00 128.11 3gqf n PRO 13 Ca 0.00 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 3gqf n PRO 13 Cb 0.00 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 3gqf n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gqf s VAL 14 N -3.10 4.43 -0.01 0.52 1.01 -1.26 -4.37 120.40 117.63 3gqf s VAL 14 Ca 0.11 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 3gqf s VAL 14 Cb 0.13 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3gqf s VAL 14 CO 0.55 -0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.79 3gqf s GLN 15 N 2.95 0.59 0.18 2.72 -2.07 -0.93 -3.76 119.66 119.34 3gqf s GLN 15 Ca 0.52 -0.28 -0.24 0.00 -1.82 0.00 0.00 55.36 53.54 3gqf s GLN 15 Cb -0.20 0.25 0.06 0.00 -1.09 0.00 0.00 33.01 32.03 3gqf s GLN 15 CO 0.15 -0.15 0.94 0.20 -1.32 0.00 0.00 175.29 175.10 3gqf s GLY 16 N -1.35 -0.14 -0.05 2.60 0.00 -0.70 -0.70 107.32 106.98 3gqf s GLY 16 Ca -0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.54 3gqf s GLY 16 CO 0.03 0.29 -0.01 -0.42 0.00 0.00 0.00 173.10 172.99 3gqf s ILE 17 N -3.16 0.36 -0.10 0.90 1.01 -0.47 -0.54 121.20 119.21 3gqf s ILE 17 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.87 3gqf s ILE 17 Cb -0.02 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 41.98 3gqf s ILE 17 CO 0.04 0.23 -0.18 -0.63 0.00 0.00 0.00 174.94 174.39 3gqf s ILE 18 N 1.50 1.66 0.04 2.92 -1.09 -0.33 -1.96 121.20 123.95 3gqf s ILE 18 Ca -0.02 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 3gqf s ILE 18 Cb -0.13 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 3gqf s ILE 18 CO -0.03 0.47 0.11 0.20 -1.23 0.00 0.00 174.94 174.46 3gqf s ASN 19 N 0.69 5.76 -0.04 3.58 0.01 0.11 -0.86 114.94 124.19 3gqf s ASN 19 Ca -0.12 0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.17 3gqf s ASN 19 Cb -0.16 -1.64 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 3gqf s ASN 19 CO 0.03 0.21 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.31 3gqf s PHE 20 N -1.34 1.58 -0.04 2.20 0.40 -0.10 -1.26 117.98 119.43 3gqf s PHE 20 Ca 0.28 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3gqf s PHE 20 Cb -0.12 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.36 3gqf s PHE 20 CO 0.20 -0.15 0.08 -2.00 0.70 0.00 0.00 175.22 174.05 3gqf s GLU 21 N 0.05 0.02 -0.21 0.44 2.12 -0.08 -1.12 118.70 119.92 3gqf s GLU 21 Ca -0.03 0.24 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 3gqf s GLU 21 Cb -0.11 -0.18 0.06 0.00 0.26 0.00 0.00 34.13 34.16 3gqf s GLU 21 CO 0.02 -0.14 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.42 3gqf s GLN 22 N 0.96 1.33 0.30 4.30 0.74 -0.55 -0.28 119.66 126.46 3gqf s GLN 22 Ca -0.08 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.60 3gqf s GLN 22 Cb -0.11 -2.35 0.49 0.00 1.10 0.00 0.00 33.01 32.14 3gqf s GLN 22 CO -0.04 -0.58 1.82 0.87 -0.55 0.00 0.00 175.29 176.81 3gqf h LYS 23 N 8.06 0.61 -3.86 1.67 1.57 -1.84 -1.72 116.57 121.06 3gqf h LYS 23 Ca -0.19 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 3gqf h LYS 23 Cb 1.09 -0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.18 3gqf h LYS 23 CO 0.39 0.65 -0.40 -1.83 -0.57 0.00 0.00 179.45 177.69 3gqf s GLU 24 N -4.92 0.82 0.13 3.15 -1.05 -1.26 -2.98 118.70 112.59 3gqf s GLU 24 Ca -0.08 -0.99 -0.35 0.00 -0.15 0.00 0.00 54.97 53.40 3gqf s GLU 24 Cb 0.15 0.33 -0.16 0.00 -0.44 0.00 0.00 34.13 34.01 3gqf s GLU 24 CO 0.78 -0.25 1.29 0.45 0.95 0.00 0.00 175.26 178.48 3gqf n SER 25 N -0.05 1.65 -0.57 0.83 2.88 -1.26 -0.96 113.62 116.15 3gqf n SER 25 Ca -0.15 1.13 -0.06 0.00 -1.33 0.00 0.00 58.87 58.46 3gqf n SER 25 Cb 0.62 -1.22 -0.02 0.00 -0.75 0.00 0.00 64.21 62.84 3gqf n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3gqf n ASN 26 N 2.37 -3.91 -4.31 -3.46 3.02 -1.26 -4.97 115.26 102.75 3gqf n ASN 26 Ca 0.17 0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.56 3gqf n ASN 26 Cb 0.22 -2.89 0.16 0.00 -0.61 0.00 0.00 39.78 36.67 3gqf n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gqf s GLY 27 N -1.69 1.73 0.48 7.41 0.00 -0.13 -5.01 107.32 110.10 3gqf s GLY 27 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.43 3gqf s GLY 27 CO 0.00 -0.34 1.40 -1.55 0.00 0.00 0.00 173.10 172.60 3gqf n PRO 28 N -3.70 2.07 -3.62 2.90 -0.04 -1.26 -4.79 135.00 126.55 3gqf n PRO 28 Ca 0.13 0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 63.96 3gqf n PRO 28 Cb 0.60 -2.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 3gqf n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gqf s VAL 29 N -1.22 5.32 -0.20 0.52 1.01 0.13 -4.33 120.40 121.63 3gqf s VAL 29 Ca 0.64 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 3gqf s VAL 29 Cb -0.44 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3gqf s VAL 29 CO 0.55 0.29 0.82 -0.75 0.00 0.00 0.00 175.10 176.01 3gqf s LYS 30 N 1.50 4.25 -0.16 2.72 2.20 0.61 -1.43 119.74 129.44 3gqf s LYS 30 Ca 0.07 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 56.66 3gqf s LYS 30 Cb -0.15 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 3gqf s LYS 30 CO 0.09 -0.39 -0.17 0.54 -0.36 0.00 0.00 175.35 175.06 3gqf s VAL 31 N 2.36 2.40 0.04 4.02 0.11 0.45 -0.90 120.40 128.88 3gqf s VAL 31 Ca 0.37 -0.85 -0.17 0.00 -2.93 0.00 0.00 61.98 58.40 3gqf s VAL 31 Cb -0.16 -2.01 0.03 0.00 -1.53 0.00 0.00 36.38 32.71 3gqf s VAL 31 CO 0.10 0.52 0.38 -1.66 -3.33 0.00 0.00 175.10 171.12 3gqf s TRP 32 N 1.00 -0.22 -3.87 1.54 -2.14 -0.39 -0.06 118.94 114.80 3gqf s TRP 32 Ca -0.02 0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.89 3gqf s TRP 32 Cb -0.15 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 3gqf s TRP 32 CO -0.04 -0.55 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 3gqf n GLY 33 N 0.53 -0.48 3.34 3.67 0.00 -0.75 0.09 105.19 111.59 3gqf n GLY 33 Ca -0.19 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 3gqf n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqf s SER 34 N -4.00 -0.56 -0.08 1.61 0.15 -0.83 -0.75 113.70 109.24 3gqf s SER 34 Ca 0.00 0.97 0.03 0.00 0.70 0.00 0.00 55.95 57.66 3gqf s SER 34 Cb 0.00 0.89 0.01 0.00 -1.71 0.00 0.00 66.02 65.20 3gqf s SER 34 CO 0.00 -0.19 -0.19 -0.63 1.20 0.00 0.00 173.24 173.44 3gqf s ILE 35 N 1.11 1.62 0.41 6.45 1.01 -0.59 -1.36 121.20 129.84 3gqf s ILE 35 Ca -0.07 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3gqf s ILE 35 Cb -0.07 -1.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.92 3gqf s ILE 35 CO -0.10 0.46 0.11 -1.59 0.00 0.00 0.00 174.94 173.82 3gqf s LYS 36 N 0.44 2.12 0.00 2.79 -2.85 0.12 -0.40 119.74 121.96 3gqf s LYS 36 Ca -0.16 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 52.87 3gqf s LYS 36 Cb -0.16 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 3gqf s LYS 36 CO 0.06 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.84 3gqf n GLY 37 N -1.12 0.72 3.88 0.59 0.00 -0.90 -2.19 105.19 106.17 3gqf n GLY 37 Ca -0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3gqf n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqf s LEU 38 N 0.00 4.31 0.53 0.99 1.02 -0.76 -4.29 118.68 120.47 3gqf s LEU 38 Ca 0.00 0.76 -0.21 0.00 0.02 0.00 0.00 54.13 54.70 3gqf s LEU 38 Cb 0.00 -3.15 -0.05 0.00 0.02 0.00 0.00 46.19 43.00 3gqf s LEU 38 CO 0.00 0.11 1.24 0.42 0.02 0.00 0.00 176.35 178.14 3gqf s THR 39 N -1.51 2.64 0.26 5.49 -4.23 -1.26 -4.19 115.64 112.84 3gqf s THR 39 Ca 0.37 0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 61.03 3gqf s THR 39 Cb -0.13 -3.22 -0.13 0.00 1.34 0.00 0.00 72.50 70.36 3gqf s THR 39 CO 0.20 -0.03 1.38 1.21 -0.54 0.00 0.00 174.62 176.84 3gqf n GLU 40 N -0.98 2.06 0.00 3.99 2.13 -1.26 -4.60 120.64 121.98 3gqf n GLU 40 Ca 0.10 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3gqf n GLU 40 Cb 0.47 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.82 3gqf n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gqf n GLY 41 N 1.85 -0.12 3.76 8.31 0.00 0.02 -4.91 105.19 114.09 3gqf n GLY 41 Ca 0.10 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 3gqf n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqf s LEU 42 N 0.00 4.45 -0.05 0.99 1.02 -1.26 -0.01 118.68 123.82 3gqf s LEU 42 Ca 0.00 1.32 0.01 0.00 0.02 0.00 0.00 54.13 55.47 3gqf s LEU 42 Cb 0.00 -3.07 0.02 0.00 0.02 0.00 0.00 46.19 43.16 3gqf s LEU 42 CO 0.00 0.08 -0.03 -1.00 0.02 0.00 0.00 176.35 175.43 3gqf s HIS 43 N -0.25 0.63 0.36 0.29 3.76 0.27 -2.47 115.29 117.89 3gqf s HIS 43 Ca 0.34 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.84 3gqf s HIS 43 Cb -0.20 -0.63 -0.12 0.00 1.11 0.00 0.00 32.58 32.75 3gqf s HIS 43 CO 0.20 -0.20 1.06 0.41 -0.85 0.00 0.00 174.74 175.36 3gqf n GLY 44 N 4.24 -0.08 2.92 -2.22 0.00 0.22 -1.06 105.19 109.21 3gqf n GLY 44 Ca -0.22 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3gqf n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gqf s PHE 45 N -1.17 -0.62 0.16 1.61 5.36 -0.16 -1.20 117.98 121.97 3gqf s PHE 45 Ca 0.60 0.77 -0.18 0.00 -0.96 0.00 0.00 56.93 57.16 3gqf s PHE 45 Cb -0.61 -0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.05 3gqf s PHE 45 CO 0.59 -0.61 0.49 -0.98 -1.46 0.00 0.00 175.22 173.26 3gqf s ARG 46 N 2.48 1.23 -0.24 10.12 3.03 -1.03 -1.96 118.95 132.57 3gqf s ARG 46 Ca 0.08 -0.71 -0.11 0.00 2.03 0.00 0.00 55.73 57.01 3gqf s ARG 46 Cb -0.15 0.52 -0.05 0.00 -1.03 0.00 0.00 34.95 34.24 3gqf s ARG 46 CO -0.13 -0.51 0.21 0.08 -1.13 0.00 0.00 175.30 173.81 3gqf s VAL 47 N -3.82 5.32 0.33 4.99 1.01 0.23 -1.39 120.40 127.08 3gqf s VAL 47 Ca 0.05 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3gqf s VAL 47 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3gqf s VAL 47 CO -0.09 0.31 0.64 -1.10 0.00 0.00 0.00 175.10 174.86 3gqf s GLN 48 N 1.24 3.69 0.18 2.72 -0.21 0.13 -0.86 119.66 126.55 3gqf s GLN 48 Ca 0.09 0.19 -0.13 0.00 0.02 0.00 0.00 55.36 55.53 3gqf s GLN 48 Cb -0.14 -2.55 0.08 0.00 1.00 0.00 0.00 33.01 31.41 3gqf s GLN 48 CO 0.06 0.12 1.83 1.49 -2.12 0.00 0.00 175.29 176.67 3gqf h GLU 49 N 1.52 0.78 -6.02 2.91 4.81 -0.94 -2.77 114.58 114.86 3gqf h GLU 49 Ca -0.47 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 3gqf h GLU 49 Cb 1.19 -0.17 -0.14 0.00 0.63 0.00 0.00 28.75 30.26 3gqf h GLU 49 CO 0.65 0.54 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.80 3gqf s PHE 50 N -6.05 3.16 -0.40 0.92 0.08 -0.28 -4.68 117.98 110.72 3gqf s PHE 50 Ca -0.13 0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.05 3gqf s PHE 50 Cb 0.13 -1.75 0.04 0.00 -0.57 0.00 0.00 43.02 40.87 3gqf s PHE 50 CO 0.76 0.49 2.82 0.41 -0.10 0.00 0.00 175.22 179.59 3gqf n GLY 51 N 1.78 4.19 3.21 4.36 0.00 -0.90 -3.33 105.19 114.51 3gqf n GLY 51 Ca -0.17 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3gqf n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqf s ASP 52 N 0.51 5.33 -0.33 1.61 -1.08 -1.26 -4.94 116.67 116.51 3gqf s ASP 52 Ca 0.58 -1.53 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 3gqf s ASP 52 Cb 0.37 -1.87 0.59 0.00 -1.46 0.00 0.00 42.92 40.55 3gqf s ASP 52 CO -0.19 -0.44 1.63 0.59 0.52 0.00 0.00 175.17 177.28 3gqf n ASN 53 N 4.75 3.30 0.05 -0.34 3.02 -1.26 -2.62 115.26 122.17 3gqf n ASN 53 Ca -0.09 -3.57 -0.01 0.00 -0.03 0.00 0.00 54.58 50.88 3gqf n ASN 53 Cb 0.43 -0.70 0.27 0.00 -0.61 0.00 0.00 39.78 39.18 3gqf n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gqf h THR 54 N 1.32 1.24 -1.49 3.41 1.35 -1.92 -2.81 112.91 114.01 3gqf h THR 54 Ca 0.32 -1.10 -0.63 0.00 -0.55 0.00 0.00 66.41 64.45 3gqf h THR 54 Cb 2.06 1.30 -0.38 0.00 -1.73 0.00 0.00 68.15 69.40 3gqf h THR 54 CO 0.61 0.35 -0.28 0.00 -0.25 0.00 0.00 175.52 175.95 3gqf n ALA 55 N -2.48 5.44 -0.57 6.62 0.00 -1.26 -5.06 120.51 123.19 3gqf n ALA 55 Ca -0.00 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.27 3gqf n ALA 55 Cb 0.35 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3gqf n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 56 N -0.55 1.76 0.02 0.00 0.00 -1.06 -3.42 105.19 101.94 3gqf n GLY 56 Ca 0.44 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.97 3gqf n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqf h THR 58 N 0.00 0.39 -0.01 0.00 1.35 -1.89 -3.23 112.91 109.51 3gqf h THR 58 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3gqf h THR 58 Cb 0.56 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3gqf h THR 58 CO 0.00 0.14 -0.00 -1.54 -0.25 0.00 0.00 175.52 173.87 3gqf n SER 59 N -3.34 1.43 0.01 5.36 3.41 -1.25 -4.16 113.62 115.09 3gqf n SER 59 Ca -0.00 -1.47 0.13 0.00 -0.26 0.00 0.00 58.87 57.27 3gqf n SER 59 Cb 0.36 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.88 3gqf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqf n ALA 60 N 0.12 2.26 0.00 7.33 0.00 -1.08 -4.58 120.51 124.56 3gqf n ALA 60 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3gqf n ALA 60 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3gqf n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 61 N 1.32 -1.35 3.76 0.00 0.00 -1.26 -1.13 105.19 106.54 3gqf n GLY 61 Ca 0.06 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 3gqf n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqf s PRO 62 N 0.00 1.19 0.26 1.61 0.04 -1.26 -4.66 135.00 132.18 3gqf s PRO 62 Ca 0.00 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 3gqf s PRO 62 Cb 0.00 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.57 3gqf s PRO 62 CO 0.00 -2.20 1.22 0.72 0.04 0.00 0.00 177.00 176.77 3gqf n HIS 63 N -3.80 1.76 -1.57 0.56 8.25 -1.26 -0.82 115.22 118.34 3gqf n HIS 63 Ca 0.06 0.59 -0.47 0.00 -0.26 0.00 0.00 57.72 57.64 3gqf n HIS 63 Cb 0.58 -2.35 -0.05 0.00 1.12 0.00 0.00 29.99 29.29 3gqf n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gqf n PHE 64 N 0.98 1.96 -3.13 4.41 7.35 -0.04 -4.52 117.46 124.47 3gqf n PHE 64 Ca 0.10 0.01 -0.18 0.00 -0.76 0.00 0.00 57.45 56.62 3gqf n PHE 64 Cb 0.31 -2.66 -0.02 0.00 0.35 0.00 0.00 39.48 37.46 3gqf n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3gqf n ASN 65 N 9.78 0.22 0.24 -2.13 5.15 -1.26 -0.83 115.26 126.43 3gqf n ASN 65 Ca 0.31 -3.02 0.16 0.00 -0.60 0.00 0.00 54.58 51.43 3gqf n ASN 65 Cb 0.34 -0.27 0.66 0.00 -0.53 0.00 0.00 39.78 39.98 3gqf n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gqf h PRO 66 N 3.26 0.00 -0.24 1.20 0.13 -1.95 -2.48 132.00 131.92 3gqf h PRO 66 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3gqf h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3gqf h PRO 66 CO 0.45 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.50 3gqf n LEU 67 N -2.84 3.17 -3.56 1.56 4.77 -1.26 -5.00 117.00 113.85 3gqf n LEU 67 Ca 0.01 -1.25 -0.21 0.00 -0.03 0.00 0.00 56.01 54.52 3gqf n LEU 67 Cb 0.26 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3gqf n LEU 67 CO 0.24 0.63 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.71 3gqf n SER 68 N 1.36 -3.37 -4.40 -1.43 7.64 -0.93 -5.02 113.62 107.47 3gqf n SER 68 Ca 0.17 -0.81 -0.18 0.00 1.01 0.00 0.00 58.87 59.07 3gqf n SER 68 Cb 0.59 -4.33 0.04 0.00 -1.01 0.00 0.00 64.21 59.50 3gqf n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gqf n ARG 69 N -3.99 0.71 -3.24 1.43 5.12 -1.26 -5.13 116.66 110.29 3gqf n ARG 69 Ca -0.20 -2.65 -0.24 0.00 -1.93 0.00 0.00 57.85 52.82 3gqf n ARG 69 Cb 0.65 -0.06 -0.01 0.00 -1.16 0.00 0.00 32.46 31.88 3gqf n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3gqf s LYS 70 N -4.08 3.45 0.33 5.56 1.02 -1.26 -4.78 119.74 119.98 3gqf s LYS 70 Ca 0.43 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.86 3gqf s LYS 70 Cb -0.03 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.56 3gqf s LYS 70 CO 0.28 0.06 1.34 -1.58 -0.92 0.00 0.00 175.35 174.53 3gqf s HIS 71 N -2.40 2.98 0.05 3.18 5.65 -1.19 -2.89 115.29 120.68 3gqf s HIS 71 Ca 0.42 1.37 -0.02 0.00 0.25 0.00 0.00 55.06 57.08 3gqf s HIS 71 Cb -0.10 -3.74 0.01 0.00 -1.18 0.00 0.00 32.58 27.57 3gqf s HIS 71 CO 0.37 -2.05 0.10 0.41 -0.65 0.00 0.00 174.74 172.92 3gqf n GLY 72 N 0.80 2.21 3.89 1.59 0.00 -1.23 -4.56 105.19 107.88 3gqf n GLY 72 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 3gqf n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqf s GLY 73 N -1.30 1.62 0.54 -0.02 0.00 -1.25 -4.76 107.32 102.14 3gqf s GLY 73 Ca 0.03 -0.32 0.22 0.00 0.00 0.00 0.00 44.72 44.65 3gqf s GLY 73 CO 0.02 -0.04 2.17 -0.56 0.00 0.00 0.00 173.10 174.69 3gqf h PRO 74 N -0.31 0.00 -0.01 2.90 0.13 -1.89 -1.86 132.00 130.96 3gqf h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3gqf h PRO 74 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gqf h PRO 74 CO 0.62 0.03 -0.10 1.63 -0.23 0.00 0.00 178.00 179.95 3gqf n LYS 75 N -4.17 1.38 -3.07 0.86 5.02 -1.26 -4.86 118.16 112.06 3gqf n LYS 75 Ca -0.03 -0.83 -0.36 0.00 -2.02 0.00 0.00 58.31 55.07 3gqf n LYS 75 Cb 0.12 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3gqf n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gqf s ASP 76 N -2.19 7.09 0.14 4.39 1.01 -0.70 -4.98 116.67 121.41 3gqf s ASP 76 Ca 0.32 1.46 -0.14 0.00 0.71 0.00 0.00 52.55 54.90 3gqf s ASP 76 Cb 0.20 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.70 3gqf s ASP 76 CO 0.41 0.03 1.61 -0.08 0.21 0.00 0.00 175.17 177.35 3gqf h GLU 77 N 3.41 0.76 -5.50 8.23 4.57 -1.89 -3.39 114.58 120.78 3gqf h GLU 77 Ca -0.48 -0.22 -0.63 0.00 -1.18 0.00 0.00 59.36 56.85 3gqf h GLU 77 Cb 1.19 -0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.56 3gqf h GLU 77 CO 0.65 0.79 0.44 -1.21 -1.18 0.00 0.00 179.01 178.51 3gqf s GLU 78 N -5.14 3.20 0.17 1.92 0.41 -1.26 -4.98 118.70 113.02 3gqf s GLU 78 Ca -0.13 -0.62 -0.18 0.00 -0.41 0.00 0.00 54.97 53.63 3gqf s GLU 78 Cb 0.11 -4.13 0.04 0.00 -1.78 0.00 0.00 34.13 28.37 3gqf s GLU 78 CO 0.80 -1.56 0.50 -0.98 -0.49 0.00 0.00 175.26 173.53 3gqf s ARG 79 N 3.70 1.27 0.52 1.61 1.70 -1.18 -3.58 118.95 122.99 3gqf s ARG 79 Ca 0.24 -0.74 -0.18 0.00 -0.47 0.00 0.00 55.73 54.58 3gqf s ARG 79 Cb -0.16 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 3gqf s ARG 79 CO 0.14 -0.53 1.02 -1.01 -1.08 0.00 0.00 175.30 173.84 3gqf s HIS 80 N -3.83 3.15 0.24 5.89 3.76 -1.14 -4.59 115.29 118.76 3gqf s HIS 80 Ca 0.06 1.53 -0.05 0.00 -0.15 0.00 0.00 55.06 56.45 3gqf s HIS 80 Cb -0.00 -2.95 0.36 0.00 1.11 0.00 0.00 32.58 31.10 3gqf s HIS 80 CO -0.08 -0.72 1.82 0.28 -0.85 0.00 0.00 174.74 175.20 3gqf h VAL 81 N 1.09 0.96 0.00 -0.90 2.07 -1.83 -2.48 116.25 115.15 3gqf h VAL 81 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3gqf h VAL 81 Cb 1.21 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3gqf h VAL 81 CO 0.59 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3gqf n GLY 82 N -1.32 -0.71 3.56 2.17 0.00 -0.01 -4.38 105.19 104.50 3gqf n GLY 82 Ca 0.13 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3gqf n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqf s ASP 83 N -2.78 6.07 -0.13 1.61 1.01 -0.94 -0.60 116.67 120.91 3gqf s ASP 83 Ca 0.07 -0.11 0.16 0.00 0.71 0.00 0.00 52.55 53.38 3gqf s ASP 83 Cb 0.06 -2.55 0.57 0.00 1.01 0.00 0.00 42.92 42.01 3gqf s ASP 83 CO 0.16 -1.84 1.49 0.18 0.21 0.00 0.00 175.17 175.37 3gqf n LEU 84 N 9.77 4.17 0.00 1.23 4.77 -0.83 -3.95 117.00 132.16 3gqf n LEU 84 Ca 0.08 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3gqf n LEU 84 Cb 0.49 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3gqf n LEU 84 CO 0.71 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 3gqf n GLY 85 N 0.31 1.19 3.33 -0.72 0.00 -1.12 -4.80 105.19 103.38 3gqf n GLY 85 Ca 0.21 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 3gqf n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gqf s ASN 86 N -4.00 2.74 0.25 1.61 0.01 -1.26 -0.99 114.94 113.31 3gqf s ASN 86 Ca 0.00 -0.78 0.09 0.00 -0.71 0.00 0.00 52.86 51.45 3gqf s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 3gqf s ASN 86 CO 0.00 0.03 0.06 0.68 -1.51 0.00 0.00 177.10 176.36 3gqf s VAL 87 N -1.59 3.78 -0.18 1.60 -7.23 -0.23 -4.92 120.40 111.64 3gqf s VAL 87 Ca 0.12 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 3gqf s VAL 87 Cb -0.08 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.87 3gqf s VAL 87 CO 0.06 -0.35 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.45 3gqf s THR 88 N -2.22 1.86 -0.10 5.32 2.01 -1.26 -0.56 115.64 120.68 3gqf s THR 88 Ca 0.32 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 3gqf s THR 88 Cb -0.07 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3gqf s THR 88 CO 0.21 0.41 0.69 0.00 -0.69 0.00 0.00 174.62 175.25 3gqf s ALA 89 N 1.35 3.39 1.22 7.40 0.00 0.99 -4.15 121.76 131.96 3gqf s ALA 89 Ca 0.03 0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 3gqf s ALA 89 Cb -0.14 -2.97 0.30 0.00 0.00 0.00 0.00 23.12 20.32 3gqf s ALA 89 CO -0.11 -0.22 1.14 -0.51 0.00 0.00 0.00 175.76 176.06 3gqf s ASP 90 N 0.88 0.76 0.34 0.00 -0.00 -0.42 -0.80 116.67 117.43 3gqf s ASP 90 Ca 0.36 0.46 0.05 0.00 -0.00 0.00 0.00 52.55 53.41 3gqf s ASP 90 Cb -0.17 -0.57 0.68 0.00 -0.00 0.00 0.00 42.92 42.86 3gqf s ASP 90 CO 0.16 -4.21 1.91 0.50 -0.00 0.00 0.00 175.17 173.53 3gqf h LYS 91 N -2.64 0.82 0.00 8.23 3.11 -1.97 0.79 116.57 124.90 3gqf h LYS 91 Ca -0.42 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 3gqf h LYS 91 Cb 1.28 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 3gqf h LYS 91 CO 0.28 0.54 0.00 -0.40 -2.81 0.00 0.00 179.45 177.06 3gqf n ASP 92 N -4.52 0.00 0.00 4.20 5.75 -1.26 -4.76 116.55 115.96 3gqf n ASP 92 Ca 0.14 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 3gqf n ASP 92 Cb 0.30 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3gqf n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gqf n GLY 93 N -0.00 0.66 3.37 6.12 0.00 0.27 -4.79 105.19 110.82 3gqf n GLY 93 Ca 0.06 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3gqf n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqf s VAL 94 N -2.00 3.58 -0.26 1.61 1.01 -1.26 -1.83 120.40 121.26 3gqf s VAL 94 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3gqf s VAL 94 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3gqf s VAL 94 CO 0.00 0.43 0.50 0.00 0.00 0.00 0.00 175.10 176.04 3gqf s ALA 95 N 1.19 3.59 -0.75 5.51 0.00 0.46 -1.30 121.76 130.47 3gqf s ALA 95 Ca 0.03 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 3gqf s ALA 95 Cb -0.14 -2.87 0.11 0.00 0.00 0.00 0.00 23.12 20.21 3gqf s ALA 95 CO -0.00 -0.73 0.95 -0.51 0.00 0.00 0.00 175.76 175.46 3gqf s ASP 96 N 1.55 6.38 0.04 0.00 1.11 -1.26 -1.55 116.67 122.94 3gqf s ASP 96 Ca 0.21 -1.59 -0.30 0.00 0.18 0.00 0.00 52.55 51.04 3gqf s ASP 96 Cb -0.16 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 3gqf s ASP 96 CO 0.09 -1.17 0.98 -0.69 1.18 0.00 0.00 175.17 175.56 3gqf s VAL 97 N 2.97 4.71 -0.25 -1.27 1.01 0.07 -4.93 120.40 122.71 3gqf s VAL 97 Ca 0.23 2.04 -0.03 0.00 0.00 0.00 0.00 61.98 64.22 3gqf s VAL 97 Cb -0.14 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.08 3gqf s VAL 97 CO 0.01 0.21 0.44 -0.55 0.00 0.00 0.00 175.10 175.21 3gqf s SER 98 N 0.65 -0.23 0.02 3.32 0.15 -1.25 -1.80 113.70 114.57 3gqf s SER 98 Ca 0.50 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.65 3gqf s SER 98 Cb -0.22 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.49 3gqf s SER 98 CO 0.29 -0.28 -0.04 -0.63 1.20 0.00 0.00 173.24 173.77 3gqf s ILE 99 N 2.63 0.27 -0.09 6.45 1.01 0.91 -5.01 121.20 127.38 3gqf s ILE 99 Ca 0.13 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3gqf s ILE 99 Cb -0.15 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 41.98 3gqf s ILE 99 CO -0.17 -0.33 -0.15 -0.70 0.00 0.00 0.00 174.94 173.59 3gqf s GLU 100 N -1.17 2.09 -0.01 2.79 2.12 -1.26 -0.41 118.70 122.84 3gqf s GLU 100 Ca -0.10 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.70 3gqf s GLU 100 Cb -0.08 -1.71 0.01 0.00 0.26 0.00 0.00 34.13 32.60 3gqf s GLU 100 CO -0.00 0.02 -0.02 0.34 -0.54 0.00 0.00 175.26 175.05 3gqf s ASP 101 N 0.74 0.35 0.00 -1.70 2.15 -0.51 -4.96 116.67 112.74 3gqf s ASP 101 Ca -0.12 -0.04 0.16 0.00 0.43 0.00 0.00 52.55 52.98 3gqf s ASP 101 Cb -0.16 -0.09 0.12 0.00 -0.30 0.00 0.00 42.92 42.49 3gqf s ASP 101 CO 0.03 -0.00 1.00 -1.20 -0.17 0.00 0.00 175.17 174.83 3gqf n SER 102 N 3.32 2.29 -0.08 -0.34 7.64 -1.26 0.22 113.62 125.41 3gqf n SER 102 Ca -0.16 -1.65 -0.22 0.00 1.01 0.00 0.00 58.87 57.85 3gqf n SER 102 Cb 0.57 0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 3gqf n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gqf h VAL 103 N 3.08 0.84 -4.15 0.44 2.07 -1.92 -3.46 116.25 113.14 3gqf h VAL 103 Ca 0.00 -2.22 -0.53 0.00 0.82 0.00 0.00 66.70 64.77 3gqf h VAL 103 Cb 0.67 2.29 0.14 0.00 -1.52 0.00 0.00 31.29 32.86 3gqf h VAL 103 CO 0.00 0.45 0.42 0.27 0.02 0.00 0.00 177.57 178.73 3gqf s ILE 104 N -2.41 2.52 0.11 4.57 -4.36 -1.26 -4.86 121.20 115.51 3gqf s ILE 104 Ca -0.27 0.28 0.01 0.00 -0.26 0.00 0.00 60.65 60.41 3gqf s ILE 104 Cb 0.06 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 3gqf s ILE 104 CO 0.64 -0.12 -0.04 -0.55 0.24 0.00 0.00 174.94 175.11 3gqf s SER 105 N -1.95 1.05 0.00 4.36 0.15 -0.71 -4.62 113.70 111.99 3gqf s SER 105 Ca 0.75 -1.06 0.21 0.00 0.70 0.00 0.00 55.95 56.54 3gqf s SER 105 Cb -0.29 0.12 0.54 0.00 -1.71 0.00 0.00 66.02 64.68 3gqf s SER 105 CO 0.41 -0.52 1.44 0.18 1.20 0.00 0.00 173.24 175.95 3gqf n LEU 106 N -0.08 2.80 -3.97 3.45 4.77 -1.26 -1.85 117.00 120.86 3gqf n LEU 106 Ca -0.11 -1.26 -0.10 0.00 -0.03 0.00 0.00 56.01 54.51 3gqf n LEU 106 Cb 0.62 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3gqf n LEU 106 CO 0.31 0.63 0.26 -0.94 -1.33 0.00 0.00 177.39 176.32 3gqf s SER 107 N -1.35 0.07 0.32 -1.43 1.04 -1.26 -4.83 113.70 106.26 3gqf s SER 107 Ca 0.36 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.78 3gqf s SER 107 Cb 0.20 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.98 3gqf s SER 107 CO 0.28 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3gqf n GLY 108 N -0.44 -0.24 0.17 7.32 0.00 -1.26 -3.46 105.19 107.28 3gqf n GLY 108 Ca -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 3gqf n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqf h ASP 109 N 5.18 0.21 -0.44 1.61 3.45 -2.01 -2.98 116.42 121.44 3gqf h ASP 109 Ca 0.00 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3gqf h ASP 109 Cb 0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 3gqf h ASP 109 CO 0.00 0.73 0.00 1.41 -1.57 0.00 0.00 179.24 179.81 3gqf n HIS 110 N -3.90 1.36 -1.85 4.55 8.25 -1.26 -4.97 115.22 117.40 3gqf n HIS 110 Ca -0.02 -0.49 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 3gqf n HIS 110 Cb 0.58 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3gqf n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gqf n ILE 112 N 3.67 0.31 -2.10 0.00 -5.35 -0.77 -4.93 119.36 110.18 3gqf n ILE 112 Ca 0.13 -0.65 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 3gqf n ILE 112 Cb 0.37 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 3gqf n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gqf s ILE 113 N -1.07 3.14 0.00 7.28 1.01 -1.26 -1.98 121.20 128.31 3gqf s ILE 113 Ca 0.19 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3gqf s ILE 113 Cb 0.12 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3gqf s ILE 113 CO 0.17 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3gqf n GLY 114 N 3.59 0.75 3.73 6.18 0.00 0.96 -4.99 105.19 115.41 3gqf n GLY 114 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3gqf n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqf n ARG 115 N -2.31 0.68 -4.25 1.61 1.74 -0.84 -2.11 116.66 111.18 3gqf n ARG 115 Ca 0.00 -3.29 -0.34 0.00 -0.77 0.00 0.00 57.85 53.45 3gqf n ARG 115 Cb 0.00 0.23 -0.12 0.00 -1.02 0.00 0.00 32.46 31.55 3gqf n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gqf s THR 116 N -2.63 3.97 -0.07 0.55 2.01 -1.05 -0.40 115.64 118.01 3gqf s THR 116 Ca 0.37 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 3gqf s THR 116 Cb -0.03 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 3gqf s THR 116 CO 0.23 0.47 0.26 -0.22 -0.69 0.00 0.00 174.62 174.67 3gqf s LEU 117 N 0.60 4.42 0.01 4.42 2.96 -0.55 0.23 118.68 130.77 3gqf s LEU 117 Ca -0.02 0.67 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3gqf s LEU 117 Cb -0.14 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 3gqf s LEU 117 CO 0.02 0.36 -0.01 0.54 -1.32 0.00 0.00 176.35 175.94 3gqf s VAL 118 N -0.99 0.07 -0.02 1.68 0.11 -0.49 -1.98 120.40 118.78 3gqf s VAL 118 Ca 0.19 -0.56 0.07 0.00 -2.93 0.00 0.00 61.98 58.74 3gqf s VAL 118 Cb -0.14 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3gqf s VAL 118 CO 0.08 -0.31 -0.22 0.54 -3.33 0.00 0.00 175.10 171.86 3gqf s VAL 119 N -0.90 1.76 0.32 2.04 0.11 -0.56 -2.48 120.40 120.69 3gqf s VAL 119 Ca -0.10 -0.95 0.08 0.00 -2.93 0.00 0.00 61.98 58.09 3gqf s VAL 119 Cb -0.06 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 3gqf s VAL 119 CO -0.01 0.50 0.14 -1.00 -3.33 0.00 0.00 175.10 171.40 3gqf s HIS 120 N -0.46 2.76 0.17 1.54 3.76 -0.34 -0.39 115.29 122.33 3gqf s HIS 120 Ca 0.07 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.51 3gqf s HIS 120 Cb -0.09 -1.56 0.12 0.00 1.11 0.00 0.00 32.58 32.16 3gqf s HIS 120 CO -0.00 0.38 1.76 1.49 -0.85 0.00 0.00 174.74 177.52 3gqf h GLU 121 N 1.56 0.34 -5.30 1.40 4.81 -0.62 -3.37 114.58 113.41 3gqf h GLU 121 Ca -0.44 -0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.17 3gqf h GLU 121 Cb 1.25 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 3gqf h GLU 121 CO 0.62 0.23 -0.56 0.15 -0.73 0.00 0.00 179.01 178.72 3gqf s LYS 122 N -6.14 1.96 0.31 1.92 1.02 0.03 -4.89 119.74 113.94 3gqf s LYS 122 Ca -0.13 -2.17 -0.30 0.00 0.02 0.00 0.00 55.97 53.39 3gqf s LYS 122 Cb 0.13 -1.23 -0.11 0.00 -0.52 0.00 0.00 37.83 36.10 3gqf s LYS 122 CO 0.72 -0.26 1.59 0.00 -0.92 0.00 0.00 175.35 176.49 3gqf s ALA 123 N -2.99 3.73 -0.11 5.17 0.00 -1.03 -0.61 121.76 125.92 3gqf s ALA 123 Ca 0.24 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 3gqf s ALA 123 Cb 0.06 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3gqf s ALA 123 CO 0.12 -1.02 1.76 0.34 0.00 0.00 0.00 175.76 176.97 3gqf s ASP 124 N 0.43 6.40 0.00 0.00 -1.08 -1.26 -4.06 116.67 117.09 3gqf s ASP 124 Ca 0.62 2.07 0.14 0.00 -0.52 0.00 0.00 52.55 54.86 3gqf s ASP 124 Cb -0.48 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.26 3gqf s ASP 124 CO 0.50 -1.18 1.51 -0.90 0.52 0.00 0.00 175.17 175.63 3gqf n ASP 125 N 8.15 0.00 -2.03 -0.34 5.68 0.01 -4.89 116.55 123.13 3gqf n ASP 125 Ca 0.20 -1.55 -0.21 0.00 -0.50 0.00 0.00 54.79 52.73 3gqf n ASP 125 Cb 0.44 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 3gqf n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gqf n LEU 126 N -0.72 -1.74 0.00 -2.12 4.77 -1.26 -1.95 117.00 113.98 3gqf n LEU 126 Ca 0.10 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3gqf n LEU 126 Cb 0.05 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.24 3gqf n LEU 126 CO 0.08 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 3gqf n GLY 127 N -0.72 0.73 1.28 -0.72 0.00 -1.25 -3.92 105.19 100.58 3gqf n GLY 127 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.87 3gqf n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqf n LYS 128 N -2.43 3.49 0.11 1.61 5.02 -0.82 -4.58 118.16 120.55 3gqf n LYS 128 Ca 0.00 -2.75 0.13 0.00 -2.02 0.00 0.00 58.31 53.67 3gqf n LYS 128 Cb 0.00 -1.80 0.32 0.00 -0.02 0.00 0.00 35.03 33.54 3gqf n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gqf h GLY 129 N 3.18 0.00 -1.92 0.72 0.00 -1.90 -3.48 103.07 99.67 3gqf h GLY 129 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 3gqf h GLY 129 CO 0.21 0.00 -0.29 0.61 0.00 0.00 0.00 176.54 177.07 3gqf n GLY 130 N 1.28 -0.02 3.24 4.60 0.00 -1.26 -5.01 105.19 108.01 3gqf n GLY 130 Ca 0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 3gqf n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqf s ASN 131 N -2.64 0.13 0.21 1.61 2.20 -1.26 -5.07 114.94 110.11 3gqf s ASN 131 Ca 0.06 -1.33 -0.07 0.00 -0.94 0.00 0.00 52.86 50.58 3gqf s ASN 131 Cb -0.03 0.40 0.15 0.00 -2.00 0.00 0.00 41.25 39.77 3gqf s ASN 131 CO 0.07 -0.87 1.66 -0.08 -2.94 0.00 0.00 177.10 174.95 3gqf h GLU 132 N 2.59 0.95 -0.58 3.55 4.81 -2.00 -2.77 114.58 121.13 3gqf h GLU 132 Ca -0.35 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.49 3gqf h GLU 132 Cb 1.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3gqf h GLU 132 CO 0.51 0.97 0.04 1.49 -0.73 0.00 0.00 179.01 181.29 3gqf h GLU 133 N 0.87 0.98 -0.26 1.92 4.57 -1.99 -2.40 114.58 118.26 3gqf h GLU 133 Ca 0.15 -0.28 0.05 0.00 -1.18 0.00 0.00 59.36 58.10 3gqf h GLU 133 Cb 0.58 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3gqf h GLU 133 CO 0.04 0.94 -0.02 1.03 -1.18 0.00 0.00 179.01 179.81 3gqf h SER 134 N 0.91 -0.15 -0.97 1.04 0.87 -1.82 0.19 113.55 113.61 3gqf h SER 134 Ca 0.17 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 3gqf h SER 134 Cb 0.48 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 3gqf h SER 134 CO 0.02 -0.04 0.63 0.74 -0.53 0.00 0.00 176.83 177.65 3gqf h THR 135 N 0.05 1.13 0.08 2.23 2.02 -1.21 -0.83 112.91 116.38 3gqf h THR 135 Ca 0.12 -0.41 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 3gqf h THR 135 Cb 0.17 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.43 3gqf h THR 135 CO -0.23 0.22 -0.68 0.11 0.37 0.00 0.00 175.52 175.31 3gqf h LYS 136 N 1.19 0.16 0.00 6.66 1.57 -1.13 -3.15 116.57 121.87 3gqf h LYS 136 Ca 0.40 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gqf h LYS 136 Cb 0.07 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3gqf h LYS 136 CO -0.14 1.13 0.00 0.25 -0.57 0.00 0.00 179.45 180.13 3gqf n THR 137 N -4.28 0.00 -0.96 -0.16 -2.24 0.64 -4.47 114.28 102.80 3gqf n THR 137 Ca -0.16 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3gqf n THR 137 Cb 0.71 1.59 0.00 0.00 -2.10 0.00 0.00 70.33 70.53 3gqf n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqf n GLY 138 N 0.03 0.73 3.44 3.38 0.00 -0.32 -4.45 105.19 108.00 3gqf n GLY 138 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3gqf n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gqf n ASN 139 N 0.00 -4.05 -1.27 1.61 4.05 -1.22 -0.81 115.26 113.57 3gqf n ASN 139 Ca 0.00 -0.56 0.06 0.00 0.45 0.00 0.00 54.58 54.53 3gqf n ASN 139 Cb 0.00 -4.94 0.26 0.00 1.23 0.00 0.00 39.78 36.34 3gqf n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gqf n ALA 140 N -4.46 3.06 -0.59 5.20 0.00 -1.26 -4.76 120.51 117.71 3gqf n ALA 140 Ca -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.13 3gqf n ALA 140 Cb 0.61 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3gqf n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 141 N 0.79 0.21 3.75 0.00 0.00 -1.26 -0.79 105.19 107.89 3gqf n GLY 141 Ca 0.19 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 3gqf n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqf s SER 142 N -4.00 5.29 0.01 1.61 0.01 -1.26 -4.64 113.70 110.72 3gqf s SER 142 Ca 0.00 2.67 -0.30 0.00 1.31 0.00 0.00 55.95 59.63 3gqf s SER 142 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 3gqf s SER 142 CO 0.00 -1.55 1.26 -0.13 0.41 0.00 0.00 173.24 173.23 3gqf s ARG 143 N -2.97 4.36 -0.22 12.44 0.52 -1.26 -0.44 118.95 131.38 3gqf s ARG 143 Ca 0.72 1.80 0.10 0.00 -0.52 0.00 0.00 55.73 57.83 3gqf s ARG 143 Cb -0.38 -3.48 -0.20 0.00 0.52 0.00 0.00 34.95 31.41 3gqf s ARG 143 CO 0.44 -0.42 -0.07 1.28 0.02 0.00 0.00 175.30 176.55 3gqf n LEU 144 N 4.77 1.44 -3.52 2.53 4.77 0.47 -4.90 117.00 122.56 3gqf n LEU 144 Ca 0.11 -0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 3gqf n LEU 144 Cb 0.45 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3gqf n LEU 144 CO 0.56 0.70 0.38 0.00 -1.33 0.00 0.00 177.39 177.70 3gqf s ALA 145 N -2.49 -1.61 0.25 -1.18 0.00 -1.18 -4.09 121.76 111.47 3gqf s ALA 145 Ca -0.21 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 3gqf s ALA 145 Cb 0.07 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.49 3gqf s ALA 145 CO 0.70 -0.49 0.55 0.00 0.00 0.00 0.00 175.76 176.52 3gqf s GLY 147 N -2.98 -0.32 0.13 0.00 0.00 -0.84 -1.51 107.32 101.81 3gqf s GLY 147 Ca 0.18 0.40 -0.23 0.00 0.00 0.00 0.00 44.72 45.07 3gqf s GLY 147 CO 0.07 0.11 0.70 0.14 0.00 0.00 0.00 173.10 174.13 3gqf s VAL 148 N -3.30 4.50 -0.31 1.40 1.01 -1.26 -1.48 120.40 120.96 3gqf s VAL 148 Ca 0.09 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 63.36 3gqf s VAL 148 Cb -0.02 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3gqf s VAL 148 CO -0.02 0.53 0.85 -0.63 0.00 0.00 0.00 175.10 175.83 3gqf s ILE 149 N -1.10 4.73 0.21 2.22 1.01 0.46 -4.51 121.20 124.22 3gqf s ILE 149 Ca 0.33 1.27 0.08 0.00 0.00 0.00 0.00 60.65 62.33 3gqf s ILE 149 Cb -0.22 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 3gqf s ILE 149 CO 0.24 -0.32 0.04 -0.83 0.00 0.00 0.00 174.94 174.07 3gqf s GLY 150 N 1.65 1.66 0.17 6.18 0.00 0.37 -0.03 107.32 117.32 3gqf s GLY 150 Ca 0.35 -1.42 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 3gqf s GLY 150 CO 0.13 -1.45 1.52 -0.42 0.00 0.00 0.00 173.10 172.88 3gqf s ILE 151 N -1.93 2.73 0.31 0.90 1.01 -1.26 -0.59 121.20 122.38 3gqf s ILE 151 Ca 0.29 0.54 0.08 0.00 0.00 0.00 0.00 60.65 61.57 3gqf s ILE 151 Cb -0.08 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3gqf s ILE 151 CO 0.20 0.05 0.15 0.00 0.00 0.00 0.00 174.94 175.34 3gqf s ALA 152 N 0.95 3.50 -2.00 9.38 0.00 -0.61 -4.77 121.76 128.22 3gqf s ALA 152 Ca 0.67 -1.69 0.29 0.00 0.00 0.00 0.00 51.96 51.23 3gqf s ALA 152 Cb -0.42 -0.92 1.71 0.00 0.00 0.00 0.00 23.12 23.49 3gqf s ALA 152 CO 0.33 0.12 2.05 0.94 0.00 0.00 0.00 175.76 179.19